<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T19:37:44.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.51638149"
                        xFract="0.8750"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="1.05147408"
                        yFract="0.12240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.36884392"
                        xFract="0.6250"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="5.34654921"
                        yFract="0.62240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="7.49408678"
                        yFract="0.87240462"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.22130635"
                        xFract="0.3750"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.07376878"
                        xFract="0.1250"
                        y3="3.19901165"
                        yFract="0.37240462"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.14753757"
                        xFract="0.2500"
                        y3="2.12524286"
                        yFract="0.24740462"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a50"
                        x3="6.4426127"
                        xFract="0.7500"
                        y3="2.12524286"
                        yFract="0.24740462"
                        z3="7.36884379"
                        zFract="0.25576089"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
               </bondArray>
               <formula concise="Cu48O2">
                  <atomArray count="48 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3082.2067999999986</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.2O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s36s38s47s48;s15s16s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">540.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">48 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-171.73255792</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-171.72583499</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-171.72919645</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.1521</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1832556E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.07377"
                        xFract="0.12500014"
                        y3="3.19901"
                        yFract="0.37240443"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.07377"
                        xFract="0.12500014"
                        y3="5.34655"
                        yFract="0.62240471"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.08509"
                        xFract="0.12631793"
                        y3="7.52262"
                        yFract="0.87572624"
                        z3="5.48269"
                        zFract="0.19029548"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.51638"
                        xFract="0.87499983"
                        y3="5.34655"
                        yFract="0.62240471"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="7.51638"
                        xFract="0.87499983"
                        y3="7.49409"
                        yFract="0.87240499"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.50474"
                        xFract="0.87364479"
                        y3="5.32038"
                        yFract="0.6193582"
                        z3="5.41022"
                        zFract="0.18778016"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.38228"
                        xFract="0.62656413"
                        y3="5.46554"
                        yFract="0.63625662"
                        z3="6.78655"
                        zFract="0.2355504"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.50295"
                        xFract="0.87343641"
                        y3="7.37509"
                        yFract="0.85855192"
                        z3="6.78655"
                        zFract="0.2355504"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.45437"
                        xFract="0.6349563"
                        y3="7.49356"
                        yFract="0.8723433"
                        z3="8.33255"
                        zFract="0.28920961"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.36884"
                        xFract="0.62499954"
                        y3="3.19901"
                        yFract="0.37240443"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.50566"
                        xFract="0.87375189"
                        y3="3.0577"
                        yFract="0.35595419"
                        z3="9.46396"
                        zFract="0.32847905"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.36343"
                        xFract="0.85719455"
                        y3="0.94275"
                        yFract="0.10974779"
                        z3="8.06496"
                        zFract="0.27992198"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.37957"
                        xFract="0.62624865"
                        y3="1.19279"
                        yFract="0.13885555"
                        z3="9.46396"
                        zFract="0.32847905"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.5218"
                        xFract="0.64280598"
                        y3="3.30773"
                        yFract="0.38506078"
                        z3="8.06496"
                        zFract="0.27992198"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.96822"
                        xFract="0.92759961"
                        y3="3.37343"
                        yFract="0.39270908"
                        z3="6.95544"
                        zFract="0.2414123"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.91701"
                        xFract="0.57240093"
                        y3="0.87706"
                        yFract="0.10210066"
                        z3="6.95544"
                        zFract="0.2414123"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.57325"
                        xFract="0.8816202"
                        y3="0.96006"
                        yFract="0.11176289"
                        z3="5.38933"
                        zFract="0.1870551"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.51638"
                        xFract="0.87499983"
                        y3="3.19901"
                        yFract="0.37240443"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.51638"
                        xFract="0.87499983"
                        y3="1.05147"
                        yFract="0.12240415"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.36884"
                        xFract="0.62499954"
                        y3="1.05147"
                        yFract="0.12240415"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.31198"
                        xFract="0.61838033"
                        y3="3.29043"
                        yFract="0.38304685"
                        z3="5.38933"
                        zFract="0.1870551"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.1931"
                        xFract="0.60454123"
                        y3="5.29342"
                        yFract="0.61621972"
                        z3="9.42508"
                        zFract="0.32712959"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="7.43086"
                        xFract="0.86504424"
                        y3="5.34708"
                        yFract="0.62246641"
                        z3="8.33255"
                        zFract="0.28920961"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.69213"
                        xFract="0.89545931"
                        y3="7.54721"
                        yFract="0.87858882"
                        z3="9.42508"
                        zFract="0.32712959"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.22131"
                        xFract="0.37500042"
                        y3="5.34655"
                        yFract="0.62240471"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.36884"
                        xFract="0.62499954"
                        y3="7.49409"
                        yFract="0.87240499"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.22131"
                        xFract="0.37500042"
                        y3="7.49409"
                        yFract="0.87240499"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.00164"
                        xFract="0.11660332"
                        y3="5.33145"
                        yFract="0.62064688"
                        z3="6.82428"
                        zFract="0.23685994"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.08487"
                        xFract="0.12629232"
                        y3="1.21452"
                        yFract="0.14138519"
                        z3="6.79827"
                        zFract="0.23595718"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.14222"
                        xFract="0.36579337"
                        y3="1.01369"
                        yFract="0.11800608"
                        z3="5.35368"
                        zFract="0.18581775"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.22131"
                        xFract="0.37500042"
                        y3="3.19901"
                        yFract="0.37240443"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="3.22131"
                        xFract="0.37500042"
                        y3="1.05147"
                        yFract="0.12240415"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.07377"
                        xFract="0.12500014"
                        y3="1.05147"
                        yFract="0.12240415"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.15285"
                        xFract="0.13420603"
                        y3="3.2368"
                        yFract="0.37680365"
                        z3="5.35368"
                        zFract="0.18581775"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.20998"
                        xFract="0.37368147"
                        y3="5.31801"
                        yFract="0.6190823"
                        z3="5.48269"
                        zFract="0.19029548"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="0.61273"
                        xFract="0.07132937"
                        y3="1.04272"
                        yFract="0.12138554"
                        z3="9.54547"
                        zFract="0.33130814"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.21021"
                        xFract="0.37370825"
                        y3="3.03597"
                        yFract="0.35342455"
                        z3="6.79827"
                        zFract="0.23595718"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.00135"
                        xFract="0.34939435"
                        y3="0.91206"
                        yFract="0.10617509"
                        z3="8.49328"
                        zFract="0.29478829"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="5.38048"
                        xFract="0.62635458"
                        y3="7.52026"
                        yFract="0.87545151"
                        z3="5.41022"
                        zFract="0.18778016"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.36884"
                        xFract="0.62499954"
                        y3="5.34655"
                        yFract="0.62240471"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="1.07377"
                        xFract="0.12500014"
                        y3="7.49409"
                        yFract="0.87240499"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.23491"
                        xFract="0.37658363"
                        y3="7.16364"
                        yFract="0.83393652"
                        z3="9.39154"
                        zFract="0.32596547"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.16374"
                        xFract="0.36829856"
                        y3="5.16985"
                        yFract="0.60183464"
                        z3="8.04824"
                        zFract="0.27934166"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.06016"
                        xFract="0.12341577"
                        y3="5.6770"
                        yFract="0.66087319"
                        z3="9.39154"
                        zFract="0.32596547"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.13133"
                        xFract="0.13170084"
                        y3="7.67078"
                        yFract="0.8929739"
                        z3="8.04824"
                        zFract="0.27934166"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.29343"
                        xFract="0.38339609"
                        y3="7.50919"
                        yFract="0.87416282"
                        z3="6.82428"
                        zFract="0.23685994"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.68234"
                        xFract="0.42867003"
                        y3="3.20777"
                        yFract="0.3734242"
                        z3="9.54547"
                        zFract="0.33130814"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.29372"
                        xFract="0.15060505"
                        y3="3.33842"
                        yFract="0.38863348"
                        z3="8.49328"
                        zFract="0.29478829"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.14754"
                        xFract="0.25000028"
                        y3="2.12524"
                        yFract="0.24740429"
                        z3="9.91029"
                        zFract="0.34397046"/>
                  <atom elementType="O"
                        id="a50"
                        x3="6.44261"
                        xFract="0.74999969"
                        y3="2.12524"
                        yFract="0.24740429"
                        z3="6.62708"
                        zFract="0.23001544"/>
               </atomArray>
               <bondArray>
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                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
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                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a28" order="S"/>
                  <bond atomRefs2="a3 a45" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a40" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a39" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a17" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a50" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a27 a46" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a49" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a49" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a42 a44" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a49" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
               </bondArray>
               <formula concise="Cu48O2">
                  <atomArray count="48 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3082.2067999999986</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.2O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50/rA:50CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O6/rB:;s2;;;s5;s6;s5s6;s7s8;;;s11;s12;s7s11s13;s6s11s14;s12s13;s12;s6s17;;s17;s7s14s18s20;s7s9s14;s7s8s11s15s22;s8s9s23;;;s3;s2s3;;s16s20s29;s21s30;;s29s30;s2s28s29s31s33;s2s7s27s28s31;;s14s21s30s31s34s35;s13s16s29s36;s5s7s8s27;s6s7s21s35s39;;s9;s7s22s28s35s37s42;s28s42s43;s3s28s42s44;s3s9s27s35s39s42s43s45;s13s14s22s38s43;s28s36s37s43s44s47;s36s38s47s48;s12s14s15s16s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
